4-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]-N-cyclopentyl-piperazine-1-carbothioamide

Systemtic Name: 4-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]-N-cyclopentyl-piperazine-1-carbothioamide Openeye Name: 4-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]-N-cyclopentyl-piperazine-1-carbothioamide CAS Name: 4-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]-N-cyclopentyl-1-piperazinecarbothioamide IUPAC Name: 4-[7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]-N-cyclopentylpiperazine-1-carbothioamide Traditional Name: 4-[7-(4-bromobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]-N-cyclopentyl-piperazine-1-carbothioamide Formula: C24H30BrN7O2S MolecularWeight: 560.5097

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=S)NC4CCCC4)CC5=CC=C(C=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=S)NC4CCCC4)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C24H30BrN7O2S/c1-28-20-19(21(33)29(2)24(28)34)32(15-16-7-9-17(25)10-8-16)22(27-20)30-11-13-31(14-12-30)23(35)26-18-5-3-4-6-18/h7-10,18H,3-6,11-15H2,1-2H3,(H,26,35)